N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide

C13H16N2O3S — CID 54866288

IUPACN-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C13H16N2O3S/c1-2-19(16,17)15-12-7-5-11(6-8-12)14-10-13-4-3-9-18-13/h3-9,14-15H,2,10H2,1H3
InChIKeyCWUNILANCXXCDQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.65
Rot. Bonds6

About N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide

N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide (PubChem CID 54866288) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
PubChem CID54866288
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C13H16N2O3S/c1-2-19(16,17)15-12-7-5-11(6-8-12)14-10-13-4-3-9-18-13/h3-9,14-15H,2,10H2,1H3
InChIKeyCWUNILANCXXCDQ-UHFFFAOYSA-N
XLogP2.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]ethanesulfonamide
CID 60931388
N-(furan-2-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 43427557
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113026308
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
3-(furan-2-ylmethylsulfamoyl)-2,2-dimethylpropanoic acid
CID 28515608
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
CID 54801101

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide (CID 54866288) is N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide?
The InChIKey is CWUNILANCXXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-19(16,17)15-12-7-5-11(6-8-12)14-10-13-4-3-9-18-13/h3-9,14-15H,2,10H2,1H3.
What are the key properties of N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide?
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 54866288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).